ethyl 1-[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxylate

C18H25FN2O3 — CID 32817292

IUPACethyl 1-[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC(=O)NCc2ccc(F)c(C)c2)CC1
InChIInChI=1S/C18H25FN2O3/c1-3-24-18(23)15-6-8-21(9-7-15)12-17(22)20-11-14-4-5-16(19)13(2)10-14/h4-5,10,15H,3,6-9,11-12H2,1-2H3,(H,20,22)
InChIKeyMRBDLANBDNQFRG-UHFFFAOYSA-N
MW336.41 g/mol
LogP2.03
Rot. Bonds6

About ethyl 1-[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxylate

ethyl 1-[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxylate (PubChem CID 32817292) has the molecular formula C18H25FN2O3 and a molecular weight of 336.41 g/mol. Its IUPAC name is ethyl 1-[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxylate
PubChem CID32817292
Molecular FormulaC18H25FN2O3
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Nameethyl 1-[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC(=O)NCc2ccc(F)c(C)c2)CC1
InChIInChI=1S/C18H25FN2O3/c1-3-24-18(23)15-6-8-21(9-7-15)12-17(22)20-11-14-4-5-16(19)13(2)10-14/h4-5,10,15H,3,6-9,11-12H2,1-2H3,(H,20,22)
InChIKeyMRBDLANBDNQFRG-UHFFFAOYSA-N
XLogP2.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 55132319
N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63264114
ethyl 1-[2-[(5-chloro-2-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 87012554
1-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 42542998
N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62547054
2-(4-acetyl-1,4-diazepan-1-yl)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
CID 35269920
ethyl (3R)-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxylate
CID 8533086
ethyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 8772796
ethyl 1-[2-(2,4-difluoroanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 4818400
N-benzyl-1-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 41415384
ethyl 1-[N-[(3-chloro-4-fluorophenyl)methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111156579
ethyl 1-[2-(2,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 4818406

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxylate (CID 32817292) is ethyl 1-[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(CC(=O)NCc2ccc(F)c(C)c2)CC1.
What is the InChIKey of ethyl 1-[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxylate?
The InChIKey is MRBDLANBDNQFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O3/c1-3-24-18(23)15-6-8-21(9-7-15)12-17(22)20-11-14-4-5-16(19)13(2)10-14/h4-5,10,15H,3,6-9,11-12H2,1-2H3,(H,20,22).
What are the key properties of ethyl 1-[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxylate?
ethyl 1-[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxylate has a molecular weight of 336.41 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxylate is sourced from PubChem (CID 32817292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).